1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene

C20H36N2 — CID 67649104

IUPAC1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene
SMILESC1=CCCCC(N2CCCCCC=CCCN2)CCCCC1
InChIInChI=1S/C20H36N2/c1-2-5-9-13-17-20(16-12-8-4-1)22-19-15-11-7-3-6-10-14-18-21-22/h1,4,6,10,20-21H,2-3,5,7-9,11-19H2
InChIKeyYYVGSYAZSCATRZ-UHFFFAOYSA-N
MW304.52 g/mol
LogP5.37
Rot. Bonds1

About 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene

1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene (PubChem CID 67649104) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene.

Molecular Properties

Compound Name1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene
PubChem CID67649104
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene
SMILESC1=CCCCC(N2CCCCCC=CCCN2)CCCCC1
InChIInChI=1S/C20H36N2/c1-2-5-9-13-17-20(16-12-8-4-1)22-19-15-11-7-3-6-10-14-18-21-22/h1,4,6,10,20-21H,2-3,5,7-9,11-19H2
InChIKeyYYVGSYAZSCATRZ-UHFFFAOYSA-N
XLogP5.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene?
The IUPAC name of 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene (CID 67649104) is 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene.
What is the SMILES notation for 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene?
The canonical SMILES for 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene is C1=CCCCC(N2CCCCCC=CCCN2)CCCCC1.
What is the InChIKey of 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene?
The InChIKey is YYVGSYAZSCATRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-2-5-9-13-17-20(16-12-8-4-1)22-19-15-11-7-3-6-10-14-18-21-22/h1,4,6,10,20-21H,2-3,5,7-9,11-19H2.
What are the key properties of 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene?
1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene has a molecular weight of 304.52 g/mol, XLogP of 5.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene is sourced from PubChem (CID 67649104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).